N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide

C15H15NO3S — CID 2571410

IUPACN-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3S/c17-15(5-1-3-12-4-2-8-20-12)16-11-6-7-13-14(9-11)19-10-18-13/h2,4,6-9H,1,3,5,10H2,(H,16,17)
InChIKeyFSLNCDBSSTZTCA-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.44
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide

N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide (PubChem CID 2571410) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide
PubChem CID2571410
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3S/c17-15(5-1-3-12-4-2-8-20-12)16-11-6-7-13-14(9-11)19-10-18-13/h2,4,6-9H,1,3,5,10H2,(H,16,17)
InChIKeyFSLNCDBSSTZTCA-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide (CID 2571410) is N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is FSLNCDBSSTZTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-15(5-1-3-12-4-2-8-20-12)16-11-6-7-13-14(9-11)19-10-18-13/h2,4,6-9H,1,3,5,10H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide?
N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 289.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2571410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).